Chlorine in PDB 7pxz: Reduced Form of Sars-Cov-2 Main Protease Determined By Xfel Radiation

All present enzymatic activity of Reduced Form of Sars-Cov-2 Main Protease Determined By Xfel Radiation:
3.4.22.69;

The structure of Reduced Form of Sars-Cov-2 Main Protease Determined By Xfel Radiation, PDB code: 7pxz was solved by R.Schubert, P.Reinke, M.Galchenkova, D.Oberthuer, G.E.P.Murillo, C.Kim, R.Bean, D.Turk, W.Hinrichs, P.Middendorf, A.Round, C.Schmidt, G.Mills, H.Kirkwood, H.Han, J.Koliyadu, J.Bielecki, L.Gelisio, M.Sikorski, M.Kloos, M.Vakilii, O.N.Yefanov, P.Vagovic, R.De-Wijn, R.Letrun, S.Guenther, T.A.White, T.Sato, V.Srinivasan, Y.Kim, A.Chretien, S.Han, H.Brognaro, J.Maracke, J.Knoska, B.C.Seychell, L.Brings, B.Norton-Baker, T.Geng, A.S.Dore, C.Uetrecht, L.Redecke, T.Beck, K.Lorenzen, C.Betzel, A.P.Mancuso, S.Bajt, H.N.Chapman, A.Meents, T.J.Lane, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.62 / 1.75
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	115, 54, 45, 90, 102, 90
R / Rfree (%)	17.4 / 20.3

The binding sites of Chlorine atom in the Reduced Form of Sars-Cov-2 Main Protease Determined By Xfel Radiation (pdb code 7pxz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Reduced Form of Sars-Cov-2 Main Protease Determined By Xfel Radiation, PDB code: 7pxz:

Chlorine binding site 1 out of 1 in the Reduced Form of Sars-Cov-2 Main Protease Determined By Xfel Radiation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Reduced Form of Sars-Cov-2 Main Protease Determined By Xfel Radiation within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:32.5 occ:0.18 H A:ALA285 2.3 33.2 0.0 HG A:SER284 2.5 42.6 0.0 HB1 A:ALA285 3.2 42.4 0.0 N A:ALA285 3.3 27.7 1.0 OG A:SER284 3.4 35.5 1.0 H A:LEU286 3.4 33.0 0.0 HA A:SER284 3.4 35.8 0.0 HG A:LEU286 3.5 66.2 0.0 HD13 A:LEU286 3.5 56.0 0.0 N A:LEU286 4.0 27.5 1.0 CB A:ALA285 4.0 35.3 1.0 CA A:ALA285 4.0 41.1 1.0 CA A:SER284 4.1 29.8 1.0 CD1 A:LEU286 4.2 46.7 1.0 C A:SER284 4.2 31.0 1.0 CG A:LEU286 4.2 55.2 1.0 HB2 A:LEU286 4.3 44.3 0.0 CB A:SER284 4.3 36.5 1.0 C A:ALA285 4.3 35.9 1.0 HD12 A:LEU286 4.3 56.0 0.0 HB2 A:ALA285 4.4 42.4 0.0 HB2 A:SER284 4.6 43.8 0.0 CB A:LEU286 4.7 36.9 1.0 H2 A:HOH505 4.8 73.4 0.0 HB3 A:ALA285 4.9 42.4 0.0 CA A:LEU286 5.0 30.6 1.0

R.Schubert, P.Reinke, M.Galchenkova, D.Oberthuer, G.Murillo, C.Kim, R.Bean, D.Turk, W.Hinrichs, P.Middendorf, A.Round, C.Schmidt, G.Mills, H.Kirkwood, H.Han, J.Koliyadu, J.Bielecki, L.Gelisio, M.Sikorski, M.Kloos, M.Vakilii, O.Yefanov, P.Vagovic, R.De-Wijn, R.Letrun, S.Guenther, T.White, T.Sato, V.Srinivasan, Y.Kim, A.Chretien, S.Han, H.Brognaro, J.Maracke, J.Knoska, B.Seychell, L.Brings, B.Norton-Baker, T.Geng, A.Dore, C.Uetrecht, L.Redecke, T.Beck, K.Lorenzen, C.Betzel, A.Mancuso, S.Bajt, H.Chapman, A.Meents, T.Lane. Reduced Form of Sars-Cov-2 Main Protease Determined By Xfel Radiation To Be Published.